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> Main
CHEBI:190399 - 4,4'-dichlorobenzhydrol
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ChEBI Name
4,4'-dichlorobenzhydrol
ChEBI ID
CHEBI:190399
Definition
A secondary alcohol that is diphenylmethanol which carries chloro groups at positions 4 and 4'. It is a metabolite of the insecticide DDT.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C13H10Cl2O
Net Charge
0
Average Mass
253.120
Monoisotopic Mass
252.01087
InChI
InChI=1S/C13H10Cl2O/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8,13,16H
InChIKey
PHUYGURFBULKPA-UHFFFAOYSA-N
SMILES
OC(C1=CC=C(Cl)C=C1)C1=CC=C(Cl)C=C1
Roles Classification
Biological Role
(s):
bacterial xenobiotic metabolite
Any bacterial metabolite produced by metabolism of a xenobiotic compound in bacteria.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
4,4'-dichlorobenzhydrol (
CHEBI:190399
)
has functional parent
diphenylmethanol (
CHEBI:156087
)
4,4'-dichlorobenzhydrol (
CHEBI:190399
)
has role
bacterial xenobiotic metabolite (
CHEBI:76976
)
4,4'-dichlorobenzhydrol (
CHEBI:190399
)
is a
benzyl alcohols (
CHEBI:22743
)
4,4'-dichlorobenzhydrol (
CHEBI:190399
)
is a
monochlorobenzenes (
CHEBI:83403
)
4,4'-dichlorobenzhydrol (
CHEBI:190399
)
is a
secondary alcohol (
CHEBI:35681
)
IUPAC Name
bis(4-chlorophenyl)methanol
Synonyms
Sources
4,4'-dichloro-α-phenylbenzylic alcohol
ChemIDplus
4,4'-dichlorobenzhydryl alcohol
ChEBI
4,4'-dichlorodiphenylcarbinol
ChEBI
4-chloro-α-(4-chlorophenyl)benzenemethanol
ChemIDplus
bis(
p
-chlorophenyl)methanol
NIST Chemistry WebBook
p
,
p
'-DCBH
ChEBI
p
,
p
'-dichlorobenzhydrol
ChemIDplus
Manual Xref
Database
6766
ChemSpider
View more database links
Registry Numbers
Types
Sources
1878717
Reaxys Registry Number
Reaxys
90-97-1
CAS Registry Number
NIST Chemistry WebBook
90-97-1
CAS Registry Number
ChemIDplus
Citations
Types
Sources
26449689
PubMed citation
Europe PMC
26791136
PubMed citation
Europe PMC
28565906
PubMed citation
Europe PMC
33517552
PubMed citation
Europe PMC
3994362
PubMed citation
Europe PMC
6253247
PubMed citation
Europe PMC
7387184
PubMed citation
Europe PMC
Last Modified
23 March 2022